gibberellin A44

Properties Image MNX_ID MNXM734158 reference chebi:143955 formula C20H26O6 global charge -2 mol weight 362.422 InChIKey AXEUUXHMKSPQAI-YTJHIPEWSA-L InChI InChI=1S/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/p-2/t12-,13+,14+,17+,18+,19-,20-/m0/s1 SMILES C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(CO)CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1 SMILES (mnx) [CH2:1]=[C:11]1[CH2:8][C@:19]23[CH2:9][C@@:20]1([OH:26])[CH2:7][CH2:4][C@H:12]2[C@:18]1([CH2:10][OH:21])[CH2:6][CH2:3][CH2:5][C@@:17]([CH3:2])([C:16](=[O:24])[OH:25])[C@H:14]1[C@@H:13]3[C:15](=[O:22])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3